UCSF

ZINC06350250

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -2.18 9.03 -32.36 3 8 1 106 389.439 4
Lo Low (pH 4.5-6) -2.18 9.46 -86.57 4 8 2 108 390.447 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )